5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane

C27H30N10O7 — CID 158653569

IUPAC5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane
SMILESC.C1CCOC1.Nc1ccc(NC(=O)c2ccc(N)cn2)nc1.O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H7N5O5.C11H11N5O.C4H8O.CH4/c17-11(9-3-1-7(5-12-9)15(18)19)14-10-4-2-8(6-13-10)16(20)21;12-7-1-3-9(14-5-7)11(17)16-10-4-2-8(13)6-15-10;1-2-4-5-3-1;/h1-6H,(H,13,14,17);1-6H,12-13H2,(H,15,16,17);1-4H2;1H4
InChIKeyIBVRIJQIAOVBER-UHFFFAOYSA-N
MW606.60 g/mol
LogP3.87
Rot. Bonds6

About 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane

5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane (PubChem CID 158653569) has the molecular formula C27H30N10O7 and a molecular weight of 606.60 g/mol. Its IUPAC name is 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane.

Molecular Properties

Compound Name5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane
PubChem CID158653569
Molecular FormulaC27H30N10O7
Molecular Weight606.60 g/mol
Exact Mass606.23
IUPAC Name5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane
SMILESC.C1CCOC1.Nc1ccc(NC(=O)c2ccc(N)cn2)nc1.O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H7N5O5.C11H11N5O.C4H8O.CH4/c17-11(9-3-1-7(5-12-9)15(18)19)14-10-4-2-8(6-13-10)16(20)21;12-7-1-3-9(14-5-7)11(17)16-10-4-2-8(13)6-15-10;1-2-4-5-3-1;/h1-6H,(H,13,14,17);1-6H,12-13H2,(H,15,16,17);1-4H2;1H4
InChIKeyIBVRIJQIAOVBER-UHFFFAOYSA-N
XLogP3.87
TPSA257.31 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.60
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane?
The IUPAC name of 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane (CID 158653569) is 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane.
What is the SMILES notation for 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane?
The canonical SMILES for 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane is C.C1CCOC1.Nc1ccc(NC(=O)c2ccc(N)cn2)nc1.O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane?
The InChIKey is IBVRIJQIAOVBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O5.C11H11N5O.C4H8O.CH4/c17-11(9-3-1-7(5-12-9)15(18)19)14-10-4-2-8(6-13-10)16(20)21;12-7-1-3-9(14-5-7)11(17)16-10-4-2-8(13)6-15-10;1-2-4-5-3-1;/h1-6H,(H,13,14,17);1-6H,12-13H2,(H,15,16,17);1-4H2;1H4.
What are the key properties of 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane?
5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane has a molecular weight of 606.60 g/mol, XLogP of 3.87, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-amino-2-pyridinyl)pyridine-2-carboxamide;methane;5-nitro-N-(5-nitro-2-pyridinyl)pyridine-2-carboxamide;oxolane is sourced from PubChem (CID 158653569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).